4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one

C13H14ClN3O — CID 176970042

IUPAC4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one
SMILESCCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-3-9-4-6-10(7-5-9)16-11-8-15-17(2)13(18)12(11)14/h4-8,16H,3H2,1-2H3
InChIKeyXTDNCPGWEHFXRB-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one

4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one (PubChem CID 176970042) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one
PubChem CID176970042
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one
SMILESCCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-3-9-4-6-10(7-5-9)16-11-8-15-17(2)13(18)12(11)14/h4-8,16H,3H2,1-2H3
InChIKeyXTDNCPGWEHFXRB-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one (CID 176970042) is 4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one is CCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1.
What is the InChIKey of 4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one?
The InChIKey is XTDNCPGWEHFXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-9-4-6-10(7-5-9)16-11-8-15-17(2)13(18)12(11)14/h4-8,16H,3H2,1-2H3.
What are the key properties of 4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one?
4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one has a molecular weight of 263.73 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one is sourced from PubChem (CID 176970042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).